4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

C16H24N4O — CID 53193752

IUPAC4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2c1CCC(=O)N2CCN1CCCCC1C
InChIInChI=1S/C16H24N4O/c1-12-5-3-4-8-19(12)9-10-20-15(21)7-6-14-13(2)17-11-18-16(14)20/h11-12H,3-10H2,1-2H3
InChIKeyKIFJTQUSNOMPES-UHFFFAOYSA-N
MW288.39 g/mol
LogP1.94
Rot. Bonds3

About 4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one

4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (PubChem CID 53193752) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is 4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

Compound Name4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
PubChem CID53193752
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC Name4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one
SMILESCc1ncnc2c1CCC(=O)N2CCN1CCCCC1C
InChIInChI=1S/C16H24N4O/c1-12-5-3-4-8-19(12)9-10-20-15(21)7-6-14-13(2)17-11-18-16(14)20/h11-12H,3-10H2,1-2H3
InChIKeyKIFJTQUSNOMPES-UHFFFAOYSA-N
XLogP1.94
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The IUPAC name of 4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one (CID 53193752) is 4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one.
What is the SMILES notation for 4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The canonical SMILES for 4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is Cc1ncnc2c1CCC(=O)N2CCN1CCCCC1C.
What is the InChIKey of 4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
The InChIKey is KIFJTQUSNOMPES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12-5-3-4-8-19(12)9-10-20-15(21)7-6-14-13(2)17-11-18-16(14)20/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one?
4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one has a molecular weight of 288.39 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-8-[2-(2-methylpiperidin-1-yl)ethyl]-5,6-dihydropyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 53193752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).